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Designed Y 3+ Surface Segregation Increases Stability of Nanocrystalline Zinc Aluminate

Sotelo Martin, Luis E ; O'Shea, Nicole M ; Mason, Jeremy K ; Castro, Ricardo H R

Journal of physical chemistry. C, 2023-03, Vol.127 (8), p.4239-4250 [Periódico revisado por pares]

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Título:
Designed Y 3+ Surface Segregation Increases Stability of Nanocrystalline Zinc Aluminate
Autor: Sotelo Martin, Luis E ; O'Shea, Nicole M ; Mason, Jeremy K ; Castro, Ricardo H R
É parte de: Journal of physical chemistry. C, 2023-03, Vol.127 (8), p.4239-4250
Descrição: The thermal stability of zinc aluminate nanoparticles is critical for their use as catalyst supports. In this study, we experimentally show that doping with 0.5 mol % Y O improves the stability of zinc aluminate nanoparticles. The dopant spontaneously segregates to the nanoparticle surfaces in a phenomenon correlated with excess energy reduction and the hindering of coarsening. Y was selected based on atomistic simulations on a 4 nm zinc aluminate nanoparticle singularly doped with elements of different ionic radii: Sc , In , Y , and Nd . The segregation energies were generally proportional to ionic radii, with Y showing the highest potential for surface segregation. Direct measurements of surface thermodynamics confirmed the decreasing trend in surface energy from 0.99 for undoped to 0.85 J/m for Y-doped nanoparticles. Diffusion coefficients calculated from coarsening curves for undoped and doped compositions at 850 °C were 4.8 × 10 cm /s and 2.5 × 10 cm /s, respectively, indicating the coarsening inhibition induced by Y results from a combination of a reduced driving force (surface energy) and decreased atomic mobility.
Editor: United States
Idioma: Inglês

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